Perlolyrin
Representations & DB's id
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| ChEBI: | CHEBI:69444 | |
|---|---|---|
| ChEMBL: | CHEMBL501991 | |
| PubChem: | 160179 | |
| IUPAC: | [5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol | |
| Standard InChI: | InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2 | |
| Standard InChI Key: | KFUCYPGCMLPUMT-UHFFFAOYSA-N | |
| SMILES: | OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1 | |
Molecular propeties
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| AlogP: | 3.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 264.09 | |
| Topological polar surface area: | 62 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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